UCSF

ZINC04890619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 15 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 3.75 -6.52 1 2 0 26 222.288 1
Hi High (pH 8-9.5) 1.79 2.97 -37.3 0 2 -1 25 221.28 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )